| SpectraBase Spectrum ID |
HFHhzPOAGYO |
| Name |
(3S,6R,7S,8S)-1,3,7-Trihydroxy-4,4,6,8-tetramethyl-12-tridecen-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-6-7-8-9-12(2)15(20)13(3)16(21)17(4,5)14(19)10-11-18/h6,12-15,18-20H,1,7-11H2,2-5H3/t12-,13+,14-,15-/m0/s1 |
| InChIKey |
GYXWFCNLWGDNGX-XGUBFFRZSA-N |
| SMILES |
C(C([C@](CCO)(O)[H])(C)C)([C@@]([C@]([C@](CCCC=C)(C)[H])(O)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815655 |
